Kinetics of elementary reactions in low-temperature autoignition chemistry

J Zádor, CA Taatjes, RX Fernandes - Progress in energy and combustion …, 2011 - Elsevier
Advanced low-temperature combustion concepts that rely on compression ignition have
placed new technological demands on the modeling of low-temperature oxidation in general …

Gas-phase tropospheric chemistry of organic compounds: a review

R Atkinson - Atmospheric Environment. Part A. General Topics, 1990 - Elsevier
Gas-phase tropospheric chemistry of organic compounds: A review - ScienceDirect Skip to
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Develo** detailed chemical kinetic mechanisms for fuel combustion

HJ Curran - Proceedings of the Combustion Institute, 2019 - Elsevier
This paper discusses a brief history of chemical kinetic modeling, with some emphasis on
the development of chemical kinetic mechanisms describing fuel oxidation. At high …

A comprehensive modeling study of n-heptane oxidation

HJ Curran, P Gaffuri, WJ Pitz, CK Westbrook - Combustion and flame, 1998 - Elsevier
A detailed chemical kinetic mechanism has been developed and used to study the oxidation
of n-heptane in flow reactors, shock tubes, and rapid compression machines. Over the series …

Chemical kinetics of hydrocarbon ignition in practical combustion systems

CK Westbrook - Proceedings of the combustion institute, 2000 - Elsevier
Chemical kinetic factors of hydrocarbon oxidation are examined in a variety of ignition
problems. Ignition is related to the presence of a dominant chain-branching reaction …

The C2H5 + O2 Reaction Mechanism:  High-Level ab Initio Characterizations

JC Rienstra-Kiracofe, WD Allen… - The Journal of Physical …, 2000 - ACS Publications
The C2H5•+ O2 reaction, central to ethane oxidation and thus of fundamental importance to
hydrocarbon combustion chemistry, has been examined in detail via highly sophisticated …

Unravelling combustion mechanisms through a quantitative understanding of elementary reactions

JA Miller, MJ Pilling, J Troe - Proceedings of the Combustion Institute, 2005 - Elsevier
This review of the role of reaction kinetics in combustion chemistry traces the historical
evolution and present state of qualitative and quantitative understanding of a number of …

Systematic Computational Study on the Unimolecular Reactions of Alkylperoxy (RO2), Hydroperoxyalkyl (QOOH), and Hydroperoxyalkylperoxy (O2QOOH) Radicals

A Miyoshi - The Journal of Physical Chemistry A, 2011 - ACS Publications
Unimolecular isomerization and decomposition reactions of alkylperoxy (RO2),
hydroperoxyalkyl (QOOH), and hydroperoxyalkylperoxy (O2QOOH) radicals play important …

Measurements, Theory, and Modeling of OH Formation in Ethyl + O2 and Propyl + O2 Reactions

JD DeSain, SJ Klippenstein, JA Miller… - The journal of physical …, 2003 - ACS Publications
The time-resolved formation of OH from ethyl+ O2 and propyl+ O2 reactions has been
measured by OH laser-induced fluorescence in pulsed-photolytic Cl-initiated oxidation of …

Detailed Kinetics and Thermochemistry of C2H5 + O2:  Reaction Kinetics of the Chemically-Activated and Stabilized CH3CH2OO Adduct

CY Sheng, JW Bozzelli, AM Dean… - The Journal of Physical …, 2002 - ACS Publications
The kinetics of the chemically activated reaction between the ethyl radical and molecular
oxygen are analyzed using quantum Rice− Ramsperger− Kassel (QRRK) theory for k (E) …